(S)-Limonene

C₁₀H₁₆CAS 5989-54-8136.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₆
Molar mass: 136.24 g/mol
Exact mass: 136.1252 Da
Density: 0.8402 g/mL (at 20 °C)
Melting point: −90 °C
Boiling point: 176 °C
Flash point: 48 °C
logP: 3.31Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H226 Flammable liquid and vaporFlammable liquids
H315 Causes skin irritationSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 601-029-00-7[2]), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P272, P273, P280, P302+P352, P303+P361+P353, P321, P332+P317, P333+P317, P362+P364, P370+P378, P391, P403+P235, P501

Identifiers

CAS number

5989-54-8

SMILES

C=C(C)[C@@H]1CC=C(C)CC1

InChIKey

XMGQYMWWDOXHJM-SNVBAGLBSA-N

InChI

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3/t10-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

17 names · show all

Limonene, (-)-
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (4S)-
p-Mentha-1,8-diene, (S)-(-)-
Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-
(4S)-1-Methyl-4-(1-methylethenyl)cyclohexene
l-Limonene
(-)-Limonene
(-)-(S)-Limonene
β-Limonene
(S)-(-)-Limonene
(-)-α-Limonene
(S)-4-Isopropenyl-1-methyl-1-cyclohexene
(4S)-Limonene
(-)-(4S)-Limonene
l-Carvene
(S)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
(4S)-1-Methyl-4-(prop-1-en-2-yl)cyclohex-1-ene

Work with (S)-Limonene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(+)-Limonene5989-27-5Enantiomer 1-Methyl-4-prop-1-en-2-ylcyclohexene138-86-3Stereo not defined 1-Methyl-4-prop-1-en-2-ylcyclohexene7705-14-8Stereo not defined

Similar compounds

Perillaldehyde18031-40-859 % similar (-)-Perillyl alcohol18457-55-159 % similar Perillaldehyde2111-75-359 % similar Perillyl alcohol536-59-459 % similar Perillartine30950-27-754 % similar Perillic acid7694-45-354 % similar (-)-cis-Carveol2102-59-243 % similar (+)-Carvone2244-16-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Myrcene123-35-3 β-Pinene127-91-3 3-Carene13466-78-9 β-Ocimene13877-91-3 (-)-Beta-Pinene18172-67-3 (+-)-Alpha-Pinene2437-95-8 Adamantane281-23-2

Elsewhere

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